8-ethynyl-N-(3-methoxypropyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

Systemtic Name: 8-ethynyl-N-(3-methoxypropyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Openeye Name: 8-ethynyl-N-(3-methoxypropyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide CAS Name: 8-ethynyl-N-(3-methoxypropyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide IUPAC Name: 8-ethynyl-N-(3-methoxypropyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Traditional Name: 8-ethynyl-N-(3-methoxypropyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Formula: C24H22N4O2 MolecularWeight: 398.45708

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=C2CN=C(C3=C(N2C=N1)C=CC(=C3)C#C)C4=CC=CC=C4

Isomeric SMILES

COCCCNC(=O)C1=C2CN=C(C3=C(N2C=N1)C=CC(=C3)C#C)C4=CC=CC=C4

InChI

InChI=1S/C24H22N4O2/c1-3-17-10-11-20-19(14-17)22(18-8-5-4-6-9-18)26-15-21-23(27-16-28(20)21)24(29)25-12-7-13-30-2/h1,4-6,8-11,14,16H,7,12-13,15H2,2H3,(H,25,29)